4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C25H24N6O3 — CID 135594598

IUPAC4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1c(OC)cccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccccc2)n1
InChIInChI=1S/C25H24N6O3/c1-4-34-23-17(11-8-12-20(23)33-3)18-13-21(32)28-24-22(18)15(2)30-31(24)25-27-19(14-26-29-25)16-9-6-5-7-10-16/h5-12,14,18H,4,13H2,1-3H3,(H,28,32)
InChIKeyXJTFNGZZRQFMMI-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.91
Rot. Bonds6

About 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135594598) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135594598
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOc1c(OC)cccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccccc2)n1
InChIInChI=1S/C25H24N6O3/c1-4-34-23-17(11-8-12-20(23)33-3)18-13-21(32)28-24-22(18)15(2)30-31(24)25-27-19(14-26-29-25)16-9-6-5-7-10-16/h5-12,14,18H,4,13H2,1-3H3,(H,28,32)
InChIKeyXJTFNGZZRQFMMI-UHFFFAOYSA-N
XLogP3.91
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135594598) is 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCOc1c(OC)cccc1C1CC(=O)Nc2c1c(C)nn2-c1nncc(-c2ccccc2)n1.
What is the InChIKey of 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XJTFNGZZRQFMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-4-34-23-17(11-8-12-20(23)33-3)18-13-21(32)28-24-22(18)15(2)30-31(24)25-27-19(14-26-29-25)16-9-6-5-7-10-16/h5-12,14,18H,4,13H2,1-3H3,(H,28,32).
What are the key properties of 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 456.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-3-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135594598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).